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Geometry for CH3NH2 (methyl amine) 1A' CS

1910171554
InChI=1S/CH5N/c1-2/h2H2,1H3 INChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N

B3PW91/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0491 0.7027 0.0000   0.7043 0.0000 0.0086
N2 0.0491 -0.7548 0.0000   -0.7507 0.0000 0.0924
H3 -0.9448 1.1705 0.0000   1.1142 0.0000 -1.0105
H4 0.5883 1.0634 0.8774   1.0955 0.8774 0.5262
H5 0.5883 1.0634 -0.8774   1.0955 -0.8774 0.5262
H6 -0.4349 -1.1150 -0.8120   -1.1381 -0.8120 -0.3701
H7 -0.4349 -1.1150 0.8120   -1.1381 0.8120 -0.3701
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5 H6 H7
C1 1.4574 1.0985 1.0913 1.0913 2.0487 2.0487
N2 1.4574 2.1667 2.0896 2.0896 1.0116 1.0116
H3 1.0985 2.1667 1.7697 1.7697 2.4785 2.4785
H4 1.0913 2.0896 1.7697 1.7549 2.9405 2.4077
H5 1.0913 2.0896 1.7697 1.7549 2.4077 2.9405
H6 2.0487 1.0116 2.4785 2.9405 2.4077 1.6239
H7 2.0487 1.0116 2.4785 2.4077 2.9405 1.6239
Maximum atom distance is 2.9405Å between atoms H4 and H6.
picture of methyl amine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 110.860 C1 N2 H7 110.860
N2 C1 H3 115.209 N2 C1 H4 109.305
N2 C1 H5 109.305 H3 C1 H4 107.836
H3 C1 H5 107.836 H4 C1 H5 107.038
H6 N2 H7 106.770

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.